K804-0060 Screening compound: N-(2-methoxyphenyl)-5-methyl-4-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K804-0060 Screening compound: N-(2-methoxyphenyl)-5-methyl-4-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K804-0060 Screening compound: N-(2-methoxyphenyl)-5-methyl-4-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K804-0060
N-(2-methoxyphenyl)-5-methyl-4-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K804-0060

Molecular Formula

C23H18F3N3O3S (C23 H18 F3 N3 O3 S)

Compound Name

N-(2-methoxyphenyl)-5-methyl-4-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-(2-methoxyphenyl)-5-methyl-4-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc(cccc2)c2OC)=O)sc(N=CN2Cc3ccc(C(F)(F)F)cc3)c1C2=O

InChI

InChI=1S/C23H18F3N3O3S/c1-13-18-21(33-19(13)20(30)28-16-5-3-4-6-17(16)32-2)27-12-29(22(18)31)11-14-7-9-15(10-8-14)23(24,25)26/h3-10,12H,11H2,1-2H3,(H,28,30)

InChI Key

WABHQHIMHQDCTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.264

Distribution Coefficient, logD

4.240

Water Solubility, LogSw

-4.52

Polar Surface Area

56.265

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with K804-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K804-0060?
Check Price and Availability of K804-0060, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K804-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K804-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K804-0060
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K804-0060 available by request